2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine

C11H19N5O3 — CID 159888694

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
SMILESOCCN(CCO)CCO.c1ncc2[nH]cnc2n1
InChIInChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9)
InChIKeyNULUIMKBAAYUFX-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.38
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine

2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine (PubChem CID 159888694) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
PubChem CID159888694
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine
SMILESOCCN(CCO)CCO.c1ncc2[nH]cnc2n1
InChIInChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9)
InChIKeyNULUIMKBAAYUFX-UHFFFAOYSA-N
XLogP-1.38
TPSA118.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine (CID 159888694) is 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine is OCCN(CCO)CCO.c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?
The InChIKey is NULUIMKBAAYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C5H4N4/c8-4-1-7(2-5-9)3-6-10;1-4-5(8-2-6-1)9-3-7-4/h8-10H,1-6H2;1-3H,(H,6,7,8,9).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine?
2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine has a molecular weight of 269.30 g/mol, XLogP of -1.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;7H-purine is sourced from PubChem (CID 159888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).